Details of the Drug

General Information of Drug (ID: DMR569L)

Drug Name
BBR-3438
Synonyms Nortopixantrone; UNII-PH2639TAB4; BBR-3438; PH2639TAB4; Nortopixantrone [INN:BAN]; AC1MI4ZO; CHEMBL150303; SCHEMBL7804438
Indication
Disease Entry ICD 11 Status REF
Gastric adenocarcinoma 2B72 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 380.4
Logarithm of the Partition Coefficient (xlogp) 0.6
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C20H24N6O2
IUPAC Name
14-[2-(2-hydroxyethylamino)ethyl]-10-[2-(methylamino)ethylamino]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one
Canonical SMILES
CNCCNC1=C2C3=C(C=C1)N(N=C3C4=C(C2=O)C=CN=C4)CCNCCO
InChI
InChI=1S/C20H24N6O2/c1-21-6-7-24-15-2-3-16-18-17(15)20(28)13-4-5-23-12-14(13)19(18)25-26(16)10-8-22-9-11-27/h2-5,12,21-22,24,27H,6-11H2,1H3
InChIKey
PMGQHDIXCJMHRO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3038512
CAS Number
156090-17-4
TTD ID
D01VPR

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Human Deoxyribonucleic acid (hDNA) TTUTN1I NOUNIPROTAC Binder [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800007244)
2 A novel 9-aza-anthrapyrazole effective against human prostatic carcinoma xenografts. Oncology. 2001;61(3):234-42.